General Information of the Compound
| Compound ID |
CP0560896
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| Compound Name |
US9422235, 79
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| Structure |
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| Formula |
C18H16ClF3N2O4S
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| Molecular Weight |
448.85
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| Canonical SMILES |
OC(=O)c1ccc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)c(Cl)c1
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| InChI |
InChI=1S/C18H16ClF3N2O4S/c19-14-7-11(17(25)26)3-5-15(14)24-12-4-6-16(13(8-12)18(20,21)22)29(27,28)23-9-10-1-2-10/h3-8,10,23-24H,1-2,9H2,(H,25,26)
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| InChIKey |
NZIXVBDZBUXTGJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound